ZXF
  CCTOOLS-0814260951

 42 45  0  0  1  0  0  0  0  0999 V2000
   -4.8570    2.0400   -1.0460 N   0  0  0  0  0
   -5.5310    2.7080   -0.1060 C   0  0  0  0  0
   -6.8390    2.8980   -0.2580 N   0  0  0  0  0
   -4.9360    3.2190    1.0140 N   0  0  0  0  0
   -3.5780    3.0710    1.2720 C   0  0  0  0  0
   -3.0960    3.5570    2.2900 O   0  0  0  0  0
   -1.4760    2.1310    0.3790 N   0  0  0  0  0
   -0.6670    1.6120   -0.7260 C   0  0  0  0  0
   -1.4970    0.6960   -1.6760 C   0  0  0  0  0
   -2.8690    1.1610   -1.8350 N   0  0  0  0  0
   -2.8390    2.3590    0.2570 C   0  0  0  0  0
   -3.5280    1.8450   -0.8600 C   0  0  0  0  0
    0.5920    0.9080   -0.2140 C   0  0  0  0  0
    1.7950    1.8850    0.4210 S   0  5  0  0  0
    0.7660   -0.4300   -0.3040 C   0  0  0  0  0
    2.2660   -1.0750    0.0960 S   0  5  0  0  0
   -0.3470   -1.3500   -0.7800 C   0  0  0  0  0
   -1.5450   -0.6540   -1.1820 O   0  0  0  0  0
   -0.8250   -2.3440    0.2780 C   0  0  0  0  0
   -1.6870   -3.3230   -0.3300 O   0  0  0  0  0
   -2.0520   -4.6770    0.3810 P   0  0  0  0  0
   -2.6950   -4.4670    1.7090 O   0  0  0  0  0
   -2.9690   -5.4370   -0.6000 O   0  0  0  0  0
   -0.7470   -5.4940    0.4800 O   0  0  0  0  0
    3.7030    0.6560    0.4170 MO  0  0  0  0  0
    5.0920    2.5480    0.7530 S   0  5  0  0  0
    5.0430   -0.3230    0.3980 O   0  5  0  0  0
    3.5780    0.4550    2.0600 O   0  6  0  0  0
   -7.2500    2.5860   -0.9690 H   0  0  0  0  0
   -7.3000    3.3330    0.3490 H   0  0  0  0  0
   -5.4290    3.6560    1.5980 H   0  0  0  0  0
   -1.0980    2.3090    1.1420 H   0  0  0  0  0
   -0.3710    2.3840   -1.2720 H   0  0  0  0  0
   -1.0730    0.6940   -2.5700 H   0  0  0  0  0
   -3.2940    0.9970   -2.5930 H   0  0  0  0  0
    0.0040   -1.8650   -1.5540 H   0  0  0  0  0
   -1.3080   -1.8590    0.9820 H   0  0  0  0  0
   -0.0510   -2.7860    0.6870 H   0  0  0  0  0
   -3.2030   -6.2140   -0.2430 H   0  0  0  0  0
   -0.4280   -5.6410   -0.3330 H   0  0  0  0  0
    4.4210    3.5680    0.6580 H   0  0  0  0  0
    5.0080   -0.8500   -0.2880 H   0  0  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 15  2  0  0  0
 14 25  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 21 24  1  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
 25 28  2  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 26 41  1  0  0  0
 27 42  1  0  0  0
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  26  -1
M  CHG  1  27  -1
M  CHG  1  28  -2
M  END
$$$$
